| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | Yes |
Popular Name: [(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperidyl]methanamine [(2S)-1-[[3-(trifluoromethyl)phe…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.31 | 7.46 | -127.41 | 4 | 2 | 2 | 32 | 274.33 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.59 | -44.64 | 3 | 2 | 1 | 31 | 273.322 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 7.1 | -36.25 | 3 | 2 | 1 | 30 | 273.322 | 4 | ↓ |
